Compile Data Set for Download or QSAR

Found 124 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1038   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM304228 (2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-19-8-7-17(24(30)31)22(23(19)29)14-4-9-21(33(37)12-14)18(10-13-2-1-3-13)25(34)32-15-5-6-16(26(35)36)20(28)11-15/h4-9,11-13,18,24H,1-3,10H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304126 ((R)-trans-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2...) Show SMILES O[C@H]1CC[C@H](C[C@@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:6.19,1.0,wD:4.4,(-5.33,5.78,;-4,5,;-2.67,5.78,;-1.33,5,;-1.33,3.47,;,2.69,;,1.15,;1.33,.38,;1.33,-1.15,;2.67,1.15,;4,.38,;5.33,1.15,;6.67,.38,;6.67,-1.15,;5.33,-1.93,;4,-1.15,;8,-1.93,;8,-3.47,;9.34,-1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;-5.33,-1.93,;-5.33,-3.47,;-4,-4.24,;-6.67,-4.24,;-6.67,-5.78,;-8,-3.47,;-8,-1.93,;-6.67,-1.16,;-6.67,.38,;-8,1.15,;-8,2.69,;-9.34,.38,;-2.67,2.69,;-4,3.47,)| Show InChI InChI=1S/C28H26ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,19-20,28,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304171 (2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...) Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F |r,$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304171 (2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...) Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F |r,$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304207 (2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...) Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304179 (2-(1-((4-carboxyphenyl)amino)- 3-cyclopropyl-1-oxo...) Show SMILES COc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.33,3.18,;-5.33,1.64,;-4,.87,;-2.67,1.64,;-1.33,.87,;,1.64,;,3.18,;1.33,3.95,;2.87,3.95,;2.1,5.29,;1.33,.87,;1.33,-.67,;2.67,1.64,;4,.87,;4,-.67,;5.33,-1.44,;6.67,-.67,;6.67,.87,;5.33,1.64,;8,-1.44,;8,-2.98,;9.34,-.67,;-1.33,-.67,;,-1.44,;-2.67,-1.44,;-4,-.67,;-5.33,-1.44,;-5.33,-2.98,;-4,-3.75,;-6.67,-3.75,;-6.67,-5.29,;-8,-2.98,;-8,-1.44,;-6.67,-.67,;-6.67,.87,;-8,1.64,;-8,3.18,;-9.34,.87,)| Show InChI InChI=1S/C26H22ClF3N2O6/c1-37-21-11-19(32(36)12-17(21)22-20(38-26(29)30)9-8-18(27)23(22)28)16(10-13-2-3-13)24(33)31-15-6-4-14(5-7-15)25(34)35/h4-9,11-13,16,26H,2-3,10H2,1H3,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304127 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...) Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:1.0,wD:4.4,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(4.67,5.78,;3.33,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-.67,1.15,;.67,.38,;.67,-1.15,;2,1.15,;3.33,.38,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;6,.38,;4.67,1.15,;7.34,-1.93,;8.67,-1.15,;7.34,-3.47,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;-6,-1.93,;-6,-3.47,;-4.67,-4.23,;-7.34,-4.23,;-7.34,-5.78,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-8.67,1.15,;-6,1.15,;.67,5,;2,5.78,)| Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304095 ((R)-2-(1-((4-Carboxyphenyl)amino)-3-cyclobutyl-1-o...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |r| Show InChI InChI=1S/C26H22ClF3N2O4/c27-20-10-9-18(24(29)30)22(23(20)28)16-6-11-21(32(36)13-16)19(12-14-2-1-3-14)25(33)31-17-7-4-15(5-8-17)26(34)35/h4-11,13-14,19,24H,1-3,12H2,(H,31,33)(H,34,35)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304153 (2-((R)-1-((4- carboxyphenyl)amino)-3- ((1S,2R)-2- ...) Show SMILES C[C@@H]1C[C@H]1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |r,$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13-,16+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304152 (2-((R)-1-((4- carboxyphenyl)amino)-3- ((1R,2S)-2- ...) Show SMILES C[C@H]1C[C@@H]1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |r,$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13-,16+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304220 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-dimethylcyc...) Show SMILES CC1(C)CC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(2)12-16(27)11-18(24(34)32-17-6-3-14(4-7-17)25(35)36)20-9-5-15(13-33(20)37)22-21(38-26(30)31)10-8-19(28)23(22)29/h3-10,13,16,18,26H,11-12H2,1-2H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304195 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304203 (2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304203 (2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304109 ((S)- or (R)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H24ClF3N2O5/c28-20-10-12-22(38-27(30)31)23(24(20)29)17-7-11-21(33(37)14-17)19(13-15-3-1-2-4-15)25(34)32-18-8-5-16(6-9-18)26(35)36/h5-12,14-15,19,27H,1-4,13H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304136 (2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...) Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.77,6.06,;-4,4.72,;-5.54,4.72,;-2.67,5.49,;-1.33,4.72,;-1.33,3.18,;,2.41,;,.87,;1.33,.1,;1.33,-1.44,;2.67,.87,;4,.1,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;6.67,.1,;5.33,.87,;8,-2.21,;8,-3.75,;9.34,-1.44,;-1.33,.1,;-2.67,.87,;-4,.1,;-4,-1.44,;-2.67,-2.21,;-1.33,-1.44,;,-2.21,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-6.67,-4.52,;-6.67,-6.06,;-8,-3.75,;-8,-2.21,;-6.67,-1.44,;-6.67,.1,;-8,.87,;-8,2.41,;-9.34,.1,;-2.67,2.41,;-4,3.18,)| Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304179 (2-(1-((4-carboxyphenyl)amino)- 3-cyclopropyl-1-oxo...) Show SMILES COc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.33,3.18,;-5.33,1.64,;-4,.87,;-2.67,1.64,;-1.33,.87,;,1.64,;,3.18,;1.33,3.95,;2.87,3.95,;2.1,5.29,;1.33,.87,;1.33,-.67,;2.67,1.64,;4,.87,;4,-.67,;5.33,-1.44,;6.67,-.67,;6.67,.87,;5.33,1.64,;8,-1.44,;8,-2.98,;9.34,-.67,;-1.33,-.67,;,-1.44,;-2.67,-1.44,;-4,-.67,;-5.33,-1.44,;-5.33,-2.98,;-4,-3.75,;-6.67,-3.75,;-6.67,-5.29,;-8,-2.98,;-8,-1.44,;-6.67,-.67,;-6.67,.87,;-8,1.64,;-8,3.18,;-9.34,.87,)| Show InChI InChI=1S/C26H22ClF3N2O6/c1-37-21-11-19(32(36)12-17(21)22-20(38-26(29)30)9-8-18(27)23(22)28)16(10-13-2-3-13)24(33)31-15-6-4-14(5-7-15)25(34)35/h4-9,11-13,16,26H,2-3,10H2,1H3,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304142 (2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...) Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.44,6.06,;-4.67,4.72,;-6.21,4.72,;-3.33,5.49,;-2,4.72,;-2,3.18,;-.67,2.41,;-.67,.87,;.67,.1,;.67,-1.44,;2,.87,;3.33,.1,;3.33,-1.44,;4.67,-2.21,;6,-1.44,;6,.1,;4.67,.87,;7.34,-2.21,;7.34,-3.75,;8.67,-1.44,;-2,.1,;-3.33,.87,;-4.67,.1,;-4.67,-1.44,;-3.33,-2.21,;-2,-1.44,;-.67,-2.21,;-6,-2.21,;-6,-3.75,;-4.67,-4.52,;-7.34,-4.52,;-7.34,-6.06,;-8.67,-3.75,;-8.67,-2.21,;-7.34,-1.44,;-7.34,.1,;-8.67,.87,;-6,.87,;-3.33,2.41,;-4.67,3.18,)| Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304105 ((S)- or (R)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O5/c27-19-9-11-21(37-26(29)30)22(23(19)28)16-6-10-20(32(36)13-16)18(12-14-2-1-3-14)24(33)31-17-7-4-15(5-8-17)25(34)35/h4-11,13-14,18,26H,1-3,12H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304191 (2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...) Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304198 (2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304226 (2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304212 (2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...) Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304232 (2-(3-(bicyclo[1.1.1]pentan- 1-yl)-1-((4-carboxy-3-...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H21ClF4N2O4/c28-19-5-4-17(24(31)32)22(23(19)30)14-1-6-21(34(38)12-14)18(11-27-8-13(9-27)10-27)25(35)33-15-2-3-16(26(36)37)20(29)7-15/h1-7,12-13,18,24H,8-11H2,(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304195 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304114 ((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |r| Show InChI InChI=1S/C25H20ClF3N2O4/c26-19-9-8-17(23(28)29)21(22(19)27)15-5-10-20(31(35)12-15)18(11-13-1-2-13)24(32)30-16-6-3-14(4-7-16)25(33)34/h3-10,12-13,18,23H,1-2,11H2,(H,30,32)(H,33,34)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304149 ((R)-4-[(3-bicyclo[1.1.1]pent-1-yl-2-{5-[3-chloro-6...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C27H22ClF3N2O5/c28-19-6-8-21(38-26(30)31)22(23(19)29)16-3-7-20(33(37)13-16)18(12-27-9-14(10-27)11-27)24(34)32-17-4-1-15(2-5-17)25(35)36/h1-8,13-14,18,26H,9-12H2,(H,32,34)(H,35,36)/t14?,18-,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304198 (2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304216 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304189 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(7.34,-3.24,;7.34,-1.7,;8.67,-.93,;6,-.93,;4.67,-1.7,;3.33,-.93,;3.33,.61,;2,1.38,;.67,.61,;.67,-.93,;-.67,1.38,;-.67,2.92,;-2,3.69,;-2.4,5.18,;-3.89,4.78,;-5.22,5.55,;-3.49,3.29,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-8.67,1.38,;-6,1.38,;4.67,1.38,;6,.61,)| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304183 (2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...) Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1 |$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.22,5.55,;-3.89,4.78,;-2.4,5.18,;-2,3.69,;-.67,2.92,;-.67,1.38,;.67,.61,;.67,-.93,;2,1.38,;3.33,.61,;3.33,-.93,;4.67,-1.7,;6,-.93,;6,.61,;4.67,1.38,;7.34,-1.7,;7.34,-3.24,;8.67,-.93,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-7.34,2.15,;-8.67,1.38,;-6,1.38,;-3.49,3.29,)| Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304210 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(8,-3.24,;8,-1.7,;9.34,-.93,;6.67,-.93,;5.33,-1.7,;4,-.93,;4,.61,;2.67,1.38,;1.33,.61,;1.33,-.93,;,1.38,;,2.92,;-1.33,3.69,;-2.82,3.29,;-3.22,4.78,;-4.55,5.55,;-1.73,5.18,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-2.67,-1.7,;-1.33,-.93,;,-1.7,;-5.33,-1.7,;-5.33,-3.24,;-4,-4.01,;-6.67,-4.01,;-6.67,-5.55,;-8,-3.24,;-8,-1.7,;-6.67,-.93,;-6.67,.61,;-8,1.38,;-8,2.92,;-9.34,.61,;5.33,1.38,;6.67,.61,)| Show InChI InChI=1S/C26H21ClF4N2O5/c27-19-6-8-21(38-26(30)31)22(23(19)29)15-3-7-20(33(37)12-15)18(11-13-9-16(28)10-13)24(34)32-17-4-1-14(2-5-17)25(35)36/h1-8,12-13,16,18,26H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304174 (2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...) Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)(F)F |r,$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c1-13-10-16(13)11-18(24(34)32-17-5-2-14(3-6-17)25(35)36)21-9-4-15(12-33(21)37)22-19(26(29,30)31)7-8-20(27)23(22)28/h2-9,12-13,16,18H,10-11H2,1H3,(H,32,34)(H,35,36)/t13?,16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304185 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304092 ((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C25H20ClF3N2O5/c26-18-8-10-20(36-25(28)29)21(22(18)27)15-5-9-19(31(35)12-15)17(11-13-1-2-13)23(32)30-16-6-3-14(4-7-16)24(33)34/h3-10,12-13,17,25H,1-2,11H2,(H,30,32)(H,33,34)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304133 ((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C28H24ClF5N2O5/c29-20-6-8-22(41-27(31)32)23(24(20)30)17-3-7-21(36(40)14-17)19(13-15-9-11-28(33,34)12-10-15)25(37)35-18-4-1-16(2-5-18)26(38)39/h1-8,14-15,19,27H,9-13H2,(H,35,37)(H,38,39)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304178 ((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...) Show SMILES COc1cc([C@@H](CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1C(F)F |r,wU:5.4,(-5.9,3.18,;-5.9,1.64,;-4.56,.87,;-3.23,1.64,;-1.9,.87,;-.56,1.64,;-.56,3.18,;-1.9,3.95,;-3.44,3.95,;-2.67,5.29,;.77,.87,;.77,-.67,;2.1,1.64,;3.44,.87,;4.77,1.64,;6.1,.87,;6.1,-.67,;4.77,-1.44,;3.44,-.67,;7.44,-1.44,;8.77,-.67,;7.44,-2.98,;-1.9,-.67,;-.56,-1.44,;-3.23,-1.44,;-4.56,-.67,;-5.9,-1.44,;-5.9,-2.98,;-4.56,-3.75,;-7.23,-3.75,;-7.23,-5.29,;-8.57,-2.98,;-8.57,-1.44,;-7.23,-.67,;-7.23,.87,;-8.77,.87,;-7.23,2.41,)| Show InChI InChI=1S/C26H22ClF3N2O5/c1-37-21-11-20(32(36)12-18(21)22-16(24(29)30)8-9-19(27)23(22)28)17(10-13-2-3-13)25(33)31-15-6-4-14(5-7-15)26(34)35/h4-9,11-13,17,24H,2-3,10H2,1H3,(H,31,33)(H,34,35)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304207 (2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...) Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304185 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304191 (2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...) Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304139 (2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...) Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:5.5,1.1,wD:1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.44,6.06,;-4.67,4.72,;-6.21,4.72,;-4.67,3.18,;-3.33,2.41,;-2,3.18,;-.67,2.41,;-.67,.87,;.67,.1,;.67,-1.44,;2,.87,;3.33,.1,;3.33,-1.44,;4.67,-2.21,;6,-1.44,;6,.1,;4.67,.87,;7.34,-2.21,;7.34,-3.75,;8.67,-1.44,;-2,.1,;-3.33,.87,;-4.67,.1,;-4.67,-1.44,;-3.33,-2.21,;-2,-1.44,;-.67,-2.21,;-6,-2.21,;-6,-3.75,;-4.67,-4.52,;-7.34,-4.52,;-7.34,-6.06,;-8.67,-3.75,;-8.67,-2.21,;-7.34,-1.44,;-7.34,.1,;-8.67,.87,;-6,.87,;-2,4.72,;-3.33,5.49,)| Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304117 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304122 (2-(1-((4-carboxyphenyl)amino)-3-(1- cyanocycloprop...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2(CC2)C#N)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |w:10.10,$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF3N3O4/c27-19-7-6-17(23(29)30)21(22(19)28)15-3-8-20(33(37)12-15)18(11-26(13-31)9-10-26)24(34)32-16-4-1-14(2-5-16)25(35)36/h1-8,12,18,23H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304216 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304134 (2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...) Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:5.5,1.1,wD:1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.77,6.06,;-4,4.72,;-5.54,4.72,;-4,3.18,;-2.67,2.41,;-1.33,3.18,;,2.41,;,.87,;1.33,.1,;1.33,-1.44,;2.67,.87,;4,.1,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;6.67,.1,;5.33,.87,;8,-2.21,;9.34,-1.44,;8,-3.75,;-1.33,.1,;-2.67,.87,;-4,.1,;-4,-1.44,;-2.67,-2.21,;-1.33,-1.44,;,-2.21,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-6.67,-4.52,;-6.67,-6.06,;-8,-3.75,;-8,-2.21,;-6.67,-1.44,;-6.67,.1,;-8,.87,;-8,2.41,;-9.34,.1,;-1.33,4.72,;-2.67,5.49,)| Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304200 (2-(1-((4- carboxyphenyl)amino)-3-(2- fluorocyclopr...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-14-10-19(14)27)24(33)31-15-4-1-12(2-5-15)25(34)35/h1-8,11,14,17,19,23H,9-10H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304183 (2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...) Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1 |$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.22,5.55,;-3.89,4.78,;-2.4,5.18,;-2,3.69,;-.67,2.92,;-.67,1.38,;.67,.61,;.67,-.93,;2,1.38,;3.33,.61,;3.33,-.93,;4.67,-1.7,;6,-.93,;6,.61,;4.67,1.38,;7.34,-1.7,;7.34,-3.24,;8.67,-.93,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-7.34,2.15,;-8.67,1.38,;-6,1.38,;-3.49,3.29,)| Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304182 ((R)-4-[(2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1F |r| Show InChI InChI=1S/C25H19ClF4N2O5/c26-17-6-8-20(37-25(29)30)21(22(17)28)13-3-7-19(32(36)11-13)16(9-12-1-2-12)23(33)31-14-4-5-15(24(34)35)18(27)10-14/h3-8,10-12,16,25H,1-2,9H2,(H,31,33)(H,34,35)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304124 ((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(=O)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C28H24ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,20,28H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304212 (2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...) Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair

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